(Q105199825)

English

[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-17-[(5R)-5,6-dihydroxy-6-methylhept-1-en-2-yl]-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-(5,6-dihydroxy-6-methylhept-1-en-2-yl)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

580.412774892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₅

0 references

canonical SMILES

O=C(OC1CC2C(C)(C)C(O)CCC2(C)C3CCC4C(C(=C)CCC(O)C(O)(C)C)CCC4(C)C13C)C=5C=CC=CC5

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isomeric SMILES

C=C(CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C

0 references

found in taxon

Eurycorymbus cavaleriei

1 reference

stated in

Eleven New Triterpenes from Eurycorymbus cavaleriei

Identifiers

InChI

InChI=1S/C37H56O5/c1-23(14-17-30(39)34(4,5)41)25-18-21-36(7)26(25)15-16-27-35(6)20-19-29(38)33(2,3)28(35)22-31(37(27,36)8)42-32(40)24-12-10-9-11-13-24/h9-13,25-31,38-39,41H,1,14-22H2,2-8H3/t25-,26-,27-,28+,29+,30-,31+,35-,36-,37+/m1/s1

0 references

InChIKey

OTTNUOGRNOMYFV-RLRJDXSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OTTNUOGRNOMYFV-RLRJDXSLSA-N

(Q105199825)

[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-17-[(5R)-5,6-dihydroxy-6-methylhept-1-en-2-yl]-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] benzoate

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Identifiers

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